1-amino-2-cyclopropyl-3-(3-methoxyphenoxy)propan-2-ol

C13H19NO3 — CID 64812746

IUPAC1-amino-2-cyclopropyl-3-(3-methoxyphenoxy)propan-2-ol
SMILESCOc1cccc(OCC(O)(CN)C2CC2)c1
InChIInChI=1S/C13H19NO3/c1-16-11-3-2-4-12(7-11)17-9-13(15,8-14)10-5-6-10/h2-4,7,10,15H,5-6,8-9,14H2,1H3
InChIKeyOFORALFLQFFIRD-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.17
Rot. Bonds6

About 1-amino-2-cyclopropyl-3-(3-methoxyphenoxy)propan-2-ol

1-amino-2-cyclopropyl-3-(3-methoxyphenoxy)propan-2-ol (PubChem CID 64812746) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-amino-2-cyclopropyl-3-(3-methoxyphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-amino-2-cyclopropyl-3-(3-methoxyphenoxy)propan-2-ol
PubChem CID64812746
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name1-amino-2-cyclopropyl-3-(3-methoxyphenoxy)propan-2-ol
SMILESCOc1cccc(OCC(O)(CN)C2CC2)c1
InChIInChI=1S/C13H19NO3/c1-16-11-3-2-4-12(7-11)17-9-13(15,8-14)10-5-6-10/h2-4,7,10,15H,5-6,8-9,14H2,1H3
InChIKeyOFORALFLQFFIRD-UHFFFAOYSA-N
XLogP1.17
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-2-cyclopropyl-3-(3-methoxyphenyl)sulfanylpropan-2-ol
CID 64812986
methyl 2-amino-2-cyclopropyl-3-(3-methoxyphenoxy)propanoate
CID 63918810
1-amino-2-cyclopropyl-3-(2-methylphenoxy)propan-2-ol
CID 64814214
1-amino-2-cyclopropyl-3-(2,3-dimethylphenoxy)propan-2-ol
CID 64812126
1-amino-3-(2-tert-butyl-4-methylphenoxy)-2-cyclopropylpropan-2-ol
CID 64813786
(3-methoxyphenoxy)methanol
CID 10442564
[1-amino-2-(3-methoxyphenoxy)ethylidene]azanium
CID 7219890
1-cyclopropyl-1-(3-methoxyphenyl)ethanamine
CID 82236080
4-[2-(3-methoxyphenoxy)ethyl]piperidine
CID 26192450
1-amino-3-(3-tert-butylphenoxy)-2-methylpropan-2-ol
CID 64815259
1-(chloromethoxy)-3-methoxybenzene
CID 59086252
tris(1,3-dimethoxybenzene);phosphane
CID 160853878

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-cyclopropyl-3-(3-methoxyphenoxy)propan-2-ol?
The IUPAC name of 1-amino-2-cyclopropyl-3-(3-methoxyphenoxy)propan-2-ol (CID 64812746) is 1-amino-2-cyclopropyl-3-(3-methoxyphenoxy)propan-2-ol.
What is the SMILES notation for 1-amino-2-cyclopropyl-3-(3-methoxyphenoxy)propan-2-ol?
The canonical SMILES for 1-amino-2-cyclopropyl-3-(3-methoxyphenoxy)propan-2-ol is COc1cccc(OCC(O)(CN)C2CC2)c1.
What is the InChIKey of 1-amino-2-cyclopropyl-3-(3-methoxyphenoxy)propan-2-ol?
The InChIKey is OFORALFLQFFIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-16-11-3-2-4-12(7-11)17-9-13(15,8-14)10-5-6-10/h2-4,7,10,15H,5-6,8-9,14H2,1H3.
What are the key properties of 1-amino-2-cyclopropyl-3-(3-methoxyphenoxy)propan-2-ol?
1-amino-2-cyclopropyl-3-(3-methoxyphenoxy)propan-2-ol has a molecular weight of 237.30 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-cyclopropyl-3-(3-methoxyphenoxy)propan-2-ol is sourced from PubChem (CID 64812746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).